Marc C. Deller, D.Phil.
marcdeller.com eloratherapeutics.com marc@marcdeller.com GitHub DOI 10.5281/zenodo.21807353 
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PETase ANnotation and Triage System

Nature's solution to a human-made health problem

PANTS-8be37f023823

Human gut 219 aa · assembly ERZ4560321_FASTA_predicted_cds · contig ERZ4560321.121430-Hadza-MoBio-hadza-E-H-G-21-1740--NODE-121430-length-1207-cov-3.474336_1

Retrieval

E-value1.20e-07
Bitscore18.8
Identity to nearest0.288
Nearest characterisedEC:A0A7W3N2I8

Structure

Methodesmfold
Mean pLDDT87.9
RMSD to IsPETase13.13 Å
Aligned fraction0.155

Aligned fraction is a length-normalised gemmi superposition statistic, not a true TM-score.

Active site

TriadS109/D160/H193
Ser–His2.97 Å
His–Asp2.96 Å
Cleft width19.66 Å
Cleft depth4.21 Å

Aromatic clamp: PHE113, PHE194, PHE200, PHE35, PHE77, TRP116, TRP78, TYR155, TYR52

Structure, superposed on IsPETase

Catalytic triad drawn as ball-and-stick from the measured residues.

Sequence

MLKKYYKLNMSDYSNMNYIVYSPETKQNNFPLLLFLHGIGERGKKIEDIEKYALPKYMNRFDIPYIVVAPQCDNNNFWDYHLRDVEKILEKVYKEYKYDKNRVCILGSSMGAFGAWNYIMSRPNLFKGIVSVSGGIMLPIKQTLLPLKEKAILIYHGNIDDVIDVNESIKAYNKLKSIDSKNIELKIIENDNHFLTSHAFKDKYLYEWLERNIWGKKWE